2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]guanidine disulfate

Systemtic Name: 2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]guanidine disulfate Openeye Name: 2-[4-(4-fluorophenyl)-4-oxo-butyl]guanidine disulfate CAS Name: 2-[4-(4-fluorophenyl)-4-oxobutyl]guanidine disulfate IUPAC Name: 2-[4-(4-fluorophenyl)-4-oxobutyl]guanidine disulfate Traditional Name: 2-[4-(4-fluorophenyl)-4-keto-butyl]guanidine disulfate Formula: C11H14FN3O9S2-4 MolecularWeight: 415.371963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCCN=C(N)N)F.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCCN=C(N)N)F.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C11H14FN3O.2H2O4S/c12-9-5-3-8(4-6-9)10(16)2-1-7-15-11(13)14;2*1-5(2,3)4/h3-6H,1-2,7H2,(H4,13,14,15);2*(H2,1,2,3,4)/p-4